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338402-55-4 | (4Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-(2-phenylhydrazin-1-ylidene)-4,5-dihydro-1H-pyrazol-5-one
CAS No: 338402-55-4 Catalog No: AG00IXWB MDL No:MFCD00140898
Product Description
Catalog Number:
AG00IXWB
Chemical Name:
(4Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-(2-phenylhydrazin-1-ylidene)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
338402-55-4
Molecular Formula:
C13H13N5OS
Molecular Weight:
287.3402
MDL Number:
MFCD00140898
IUPAC Name:
2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C13H13N5OS/c1-9-11(16-15-10-5-3-2-4-6-10)12(19)18(17-9)13-14-7-8-20-13/h2-6,17H,7-8H2,1H3
InChI Key:
MNEPKNQLCRABFD-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)/C/1=N\Nc1ccccc1)C1=NCCS1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.341g/mol
Monoisotopic Mass:
287.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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